2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine

C19H19N3Si — CID 90316330

IUPAC2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine
SMILESC[Si](C)(C)C#Cc1ccc(-c2cc(N)c3cnccc3n2)cc1
InChIInChI=1S/C19H19N3Si/c1-23(2,3)11-9-14-4-6-15(7-5-14)19-12-17(20)16-13-21-10-8-18(16)22-19/h4-8,10,12-13H,1-3H3,(H2,20,22)
InChIKeySWMNJLCHXDYQPY-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.11
Rot. Bonds1

About 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine

2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine (PubChem CID 90316330) has the molecular formula C19H19N3Si and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine.

Molecular Properties

Compound Name2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine
PubChem CID90316330
Molecular FormulaC19H19N3Si
Molecular Weight317.47 g/mol
Exact Mass317.13
IUPAC Name2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine
SMILESC[Si](C)(C)C#Cc1ccc(-c2cc(N)c3cnccc3n2)cc1
InChIInChI=1S/C19H19N3Si/c1-23(2,3)11-9-14-4-6-15(7-5-14)19-12-17(20)16-13-21-10-8-18(16)22-19/h4-8,10,12-13H,1-3H3,(H2,20,22)
InChIKeySWMNJLCHXDYQPY-UHFFFAOYSA-N
XLogP4.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine?
The IUPAC name of 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine (CID 90316330) is 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine.
What is the SMILES notation for 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine?
The canonical SMILES for 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine is C[Si](C)(C)C#Cc1ccc(-c2cc(N)c3cnccc3n2)cc1.
What is the InChIKey of 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine?
The InChIKey is SWMNJLCHXDYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3Si/c1-23(2,3)11-9-14-4-6-15(7-5-14)19-12-17(20)16-13-21-10-8-18(16)22-19/h4-8,10,12-13H,1-3H3,(H2,20,22).
What are the key properties of 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine?
2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine has a molecular weight of 317.47 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-trimethylsilylethynyl)phenyl]-1,6-naphthyridin-4-amine is sourced from PubChem (CID 90316330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).